USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0.235 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.275 X(o=-0.27,f=-0.084) USER MOD Single : A 105 MET CE :methyl -142:sc= -3.81 (180deg=-4.14!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.439 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 TYR OH : rot 180:sc=-0.00121 USER MOD Single : A 130 SER OG : rot -83:sc= 1.69 USER MOD Single : A 131 ASN : amide:sc= -3.09 K(o=-3.1,f=-9.3!) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 39 N ILE A 81 11.106 -1.516 1.510 1.00 0.00 N ATOM 40 CA ILE A 81 10.021 -1.666 0.497 1.00 0.00 C ATOM 41 C ILE A 81 8.805 -0.809 0.872 1.00 0.00 C ATOM 42 O ILE A 81 7.696 -1.292 0.918 1.00 0.00 O ATOM 43 CB ILE A 81 9.669 -3.165 0.450 1.00 0.00 C ATOM 44 CG1 ILE A 81 9.024 -3.638 1.791 1.00 0.00 C ATOM 45 CG2 ILE A 81 10.933 -3.972 0.099 1.00 0.00 C ATOM 46 CD1 ILE A 81 10.042 -4.293 2.746 1.00 0.00 C ATOM 0 HA ILE A 81 10.344 -1.321 -0.485 1.00 0.00 H new ATOM 0 HB ILE A 81 8.923 -3.336 -0.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.564 -2.784 2.288 1.00 0.00 H new ATOM 0 HG13 ILE A 81 8.227 -4.349 1.574 1.00 0.00 H new ATOM 0 HG21 ILE A 81 10.689 -5.034 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 81 11.309 -3.654 -0.874 1.00 0.00 H new ATOM 0 HG23 ILE A 81 11.697 -3.800 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 81 9.536 -4.602 3.661 1.00 0.00 H new ATOM 0 HD12 ILE A 81 10.484 -5.165 2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.826 -3.576 2.989 1.00 0.00 H new ATOM 58 N ILE A 82 8.995 0.469 1.119 1.00 0.00 N ATOM 59 CA ILE A 82 7.823 1.330 1.469 1.00 0.00 C ATOM 60 C ILE A 82 7.362 2.088 0.236 1.00 0.00 C ATOM 61 O ILE A 82 8.135 2.356 -0.658 1.00 0.00 O ATOM 62 CB ILE A 82 8.302 2.301 2.552 1.00 0.00 C ATOM 63 CG1 ILE A 82 8.791 1.511 3.766 1.00 0.00 C ATOM 64 CG2 ILE A 82 7.146 3.224 2.975 1.00 0.00 C ATOM 65 CD1 ILE A 82 9.659 2.415 4.644 1.00 0.00 C ATOM 0 H ILE A 82 9.897 0.944 1.093 1.00 0.00 H new ATOM 0 HA ILE A 82 6.981 0.738 1.828 1.00 0.00 H new ATOM 0 HB ILE A 82 9.118 2.905 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.941 1.138 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 82 9.363 0.642 3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.493 3.912 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 82 6.799 3.791 2.111 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.326 2.623 3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 82 10.009 1.854 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.516 2.766 4.069 1.00 0.00 H new ATOM 0 HD13 ILE A 82 9.071 3.270 4.979 1.00 0.00 H new ATOM 77 N VAL A 83 6.108 2.435 0.189 1.00 0.00 N ATOM 78 CA VAL A 83 5.583 3.179 -0.985 1.00 0.00 C ATOM 79 C VAL A 83 4.634 4.284 -0.509 1.00 0.00 C ATOM 80 O VAL A 83 4.399 4.435 0.677 1.00 0.00 O ATOM 81 CB VAL A 83 4.848 2.122 -1.827 1.00 0.00 C ATOM 82 CG1 VAL A 83 5.817 1.001 -2.218 1.00 0.00 C ATOM 83 CG2 VAL A 83 3.681 1.518 -1.032 1.00 0.00 C ATOM 0 H VAL A 83 5.422 2.234 0.917 1.00 0.00 H new ATOM 0 HA VAL A 83 6.364 3.669 -1.566 1.00 0.00 H new ATOM 0 HB VAL A 83 4.460 2.606 -2.723 1.00 0.00 H new ATOM 0 HG11 VAL A 83 5.290 0.256 -2.814 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.639 1.417 -2.801 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.213 0.531 -1.317 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.172 0.772 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.063 1.046 -0.127 1.00 0.00 H new ATOM 0 HG23 VAL A 83 2.978 2.306 -0.762 1.00 0.00 H new ATOM 93 N VAL A 84 4.079 5.043 -1.414 1.00 0.00 N ATOM 94 CA VAL A 84 3.138 6.120 -0.997 1.00 0.00 C ATOM 95 C VAL A 84 1.893 6.103 -1.888 1.00 0.00 C ATOM 96 O VAL A 84 1.981 6.227 -3.099 1.00 0.00 O ATOM 97 CB VAL A 84 3.926 7.441 -1.117 1.00 0.00 C ATOM 98 CG1 VAL A 84 4.083 7.869 -2.580 1.00 0.00 C ATOM 99 CG2 VAL A 84 3.182 8.536 -0.356 1.00 0.00 C ATOM 0 H VAL A 84 4.235 4.965 -2.419 1.00 0.00 H new ATOM 0 HA VAL A 84 2.780 5.987 0.024 1.00 0.00 H new ATOM 0 HB VAL A 84 4.920 7.285 -0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.643 8.803 -2.628 1.00 0.00 H new ATOM 0 HG12 VAL A 84 4.620 7.096 -3.130 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.098 8.013 -3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.733 9.473 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.186 8.663 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.095 8.255 0.694 1.00 0.00 H new ATOM 109 N ALA A 85 0.737 5.934 -1.300 1.00 0.00 N ATOM 110 CA ALA A 85 -0.519 5.909 -2.105 1.00 0.00 C ATOM 111 C ALA A 85 -0.671 7.243 -2.823 1.00 0.00 C ATOM 112 O ALA A 85 -0.817 8.275 -2.186 1.00 0.00 O ATOM 113 CB ALA A 85 -1.647 5.739 -1.098 1.00 0.00 C ATOM 0 H ALA A 85 0.609 5.812 -0.295 1.00 0.00 H new ATOM 0 HA ALA A 85 -0.520 5.112 -2.849 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -2.602 5.713 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -1.508 4.807 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -1.640 6.575 -0.399 1.00 0.00 H new ATOM 119 N LEU A 86 -0.623 7.226 -4.131 1.00 0.00 N ATOM 120 CA LEU A 86 -0.740 8.491 -4.911 1.00 0.00 C ATOM 121 C LEU A 86 -2.186 8.747 -5.350 1.00 0.00 C ATOM 122 O LEU A 86 -2.442 9.625 -6.153 1.00 0.00 O ATOM 123 CB LEU A 86 0.151 8.271 -6.137 1.00 0.00 C ATOM 124 CG LEU A 86 1.620 8.372 -5.721 1.00 0.00 C ATOM 125 CD1 LEU A 86 2.520 7.999 -6.900 1.00 0.00 C ATOM 126 CD2 LEU A 86 1.927 9.805 -5.287 1.00 0.00 C ATOM 0 H LEU A 86 -0.507 6.383 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 86 -0.443 9.357 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.048 7.293 -6.574 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.074 9.014 -6.902 1.00 0.00 H new ATOM 0 HG LEU A 86 1.806 7.687 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.565 8.073 -6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.304 6.978 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.333 8.680 -7.730 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.973 9.879 -4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.736 10.485 -6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.291 10.074 -4.444 1.00 0.00 H new ATOM 138 N TYR A 87 -3.140 7.999 -4.835 1.00 0.00 N ATOM 139 CA TYR A 87 -4.578 8.224 -5.222 1.00 0.00 C ATOM 140 C TYR A 87 -5.499 7.735 -4.096 1.00 0.00 C ATOM 141 O TYR A 87 -5.154 6.838 -3.353 1.00 0.00 O ATOM 142 CB TYR A 87 -4.841 7.393 -6.496 1.00 0.00 C ATOM 143 CG TYR A 87 -3.764 7.621 -7.529 1.00 0.00 C ATOM 144 CD1 TYR A 87 -3.848 8.704 -8.409 1.00 0.00 C ATOM 145 CD2 TYR A 87 -2.673 6.747 -7.591 1.00 0.00 C ATOM 146 CE1 TYR A 87 -2.837 8.913 -9.358 1.00 0.00 C ATOM 147 CE2 TYR A 87 -1.663 6.954 -8.536 1.00 0.00 C ATOM 148 CZ TYR A 87 -1.743 8.038 -9.421 1.00 0.00 C ATOM 149 OH TYR A 87 -0.746 8.248 -10.353 1.00 0.00 O ATOM 0 H TYR A 87 -2.987 7.245 -4.166 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.772 9.282 -5.396 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -4.885 6.334 -6.240 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -5.812 7.660 -6.914 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -4.690 9.378 -8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -2.611 5.912 -6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -2.901 9.748 -10.040 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -0.822 6.279 -8.584 1.00 0.00 H new ATOM 0 HH TYR A 87 -0.062 7.553 -10.262 1.00 0.00 H new ATOM 159 N ASP A 88 -6.662 8.321 -3.961 1.00 0.00 N ATOM 160 CA ASP A 88 -7.602 7.880 -2.882 1.00 0.00 C ATOM 161 C ASP A 88 -8.186 6.500 -3.236 1.00 0.00 C ATOM 162 O ASP A 88 -8.385 6.193 -4.396 1.00 0.00 O ATOM 163 CB ASP A 88 -8.706 8.939 -2.845 1.00 0.00 C ATOM 164 CG ASP A 88 -8.198 10.186 -2.117 1.00 0.00 C ATOM 165 OD1 ASP A 88 -7.838 10.066 -0.957 1.00 0.00 O ATOM 166 OD2 ASP A 88 -8.180 11.241 -2.731 1.00 0.00 O ATOM 0 H ASP A 88 -7.002 9.083 -4.548 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.108 7.786 -1.915 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.011 9.197 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -9.586 8.543 -2.339 1.00 0.00 H new ATOM 171 N TYR A 89 -8.455 5.661 -2.256 1.00 0.00 N ATOM 172 CA TYR A 89 -9.019 4.300 -2.564 1.00 0.00 C ATOM 173 C TYR A 89 -9.842 3.765 -1.382 1.00 0.00 C ATOM 174 O TYR A 89 -9.833 4.324 -0.303 1.00 0.00 O ATOM 175 CB TYR A 89 -7.791 3.415 -2.806 1.00 0.00 C ATOM 176 CG TYR A 89 -8.223 2.045 -3.281 1.00 0.00 C ATOM 177 CD1 TYR A 89 -8.885 1.904 -4.508 1.00 0.00 C ATOM 178 CD2 TYR A 89 -7.958 0.918 -2.496 1.00 0.00 C ATOM 179 CE1 TYR A 89 -9.282 0.634 -4.947 1.00 0.00 C ATOM 180 CE2 TYR A 89 -8.356 -0.352 -2.934 1.00 0.00 C ATOM 181 CZ TYR A 89 -9.018 -0.494 -4.159 1.00 0.00 C ATOM 182 OH TYR A 89 -9.407 -1.744 -4.593 1.00 0.00 O ATOM 0 H TYR A 89 -8.310 5.857 -1.266 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.692 4.322 -3.421 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.140 3.877 -3.548 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.212 3.324 -1.887 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.089 2.774 -5.115 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.446 1.027 -1.551 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -9.792 0.525 -5.893 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.152 -1.221 -2.326 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.147 -2.416 -3.929 1.00 0.00 H new ATOM 192 N GLU A 90 -10.564 2.687 -1.593 1.00 0.00 N ATOM 193 CA GLU A 90 -11.402 2.102 -0.500 1.00 0.00 C ATOM 194 C GLU A 90 -11.563 0.590 -0.697 1.00 0.00 C ATOM 195 O GLU A 90 -12.386 0.138 -1.471 1.00 0.00 O ATOM 196 CB GLU A 90 -12.756 2.796 -0.623 1.00 0.00 C ATOM 197 CG GLU A 90 -12.736 4.104 0.167 1.00 0.00 C ATOM 198 CD GLU A 90 -14.164 4.630 0.311 1.00 0.00 C ATOM 199 OE1 GLU A 90 -15.021 3.852 0.699 1.00 0.00 O ATOM 200 OE2 GLU A 90 -14.378 5.798 0.031 1.00 0.00 O ATOM 0 H GLU A 90 -10.607 2.187 -2.481 1.00 0.00 H new ATOM 0 HA GLU A 90 -10.951 2.249 0.481 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -12.980 2.996 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -13.545 2.145 -0.247 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -12.295 3.941 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -12.115 4.840 -0.343 1.00 0.00 H new ATOM 207 N ALA A 91 -10.785 -0.194 0.006 1.00 0.00 N ATOM 208 CA ALA A 91 -10.888 -1.681 -0.126 1.00 0.00 C ATOM 209 C ALA A 91 -12.300 -2.156 0.236 1.00 0.00 C ATOM 210 O ALA A 91 -13.166 -1.359 0.541 1.00 0.00 O ATOM 211 CB ALA A 91 -9.868 -2.236 0.859 1.00 0.00 C ATOM 0 H ALA A 91 -10.081 0.132 0.668 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.697 -2.016 -1.145 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.882 -3.325 0.822 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -8.874 -1.877 0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -10.117 -1.904 1.867 1.00 0.00 H new ATOM 285 N ASP A 96 -7.660 -6.791 2.432 1.00 0.00 N ATOM 286 CA ASP A 96 -7.480 -5.541 1.611 1.00 0.00 C ATOM 287 C ASP A 96 -7.523 -4.270 2.487 1.00 0.00 C ATOM 288 O ASP A 96 -8.077 -4.278 3.571 1.00 0.00 O ATOM 289 CB ASP A 96 -8.618 -5.569 0.585 1.00 0.00 C ATOM 290 CG ASP A 96 -9.975 -5.658 1.287 1.00 0.00 C ATOM 291 OD1 ASP A 96 -10.095 -5.142 2.387 1.00 0.00 O ATOM 292 OD2 ASP A 96 -10.873 -6.238 0.705 1.00 0.00 O ATOM 0 HA ASP A 96 -6.504 -5.514 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -8.580 -4.672 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -8.492 -6.421 -0.083 1.00 0.00 H new ATOM 297 N LEU A 97 -6.890 -3.202 2.052 1.00 0.00 N ATOM 298 CA LEU A 97 -6.848 -1.964 2.892 1.00 0.00 C ATOM 299 C LEU A 97 -7.117 -0.701 2.068 1.00 0.00 C ATOM 300 O LEU A 97 -6.744 -0.600 0.914 1.00 0.00 O ATOM 301 CB LEU A 97 -5.421 -1.933 3.439 1.00 0.00 C ATOM 302 CG LEU A 97 -5.254 -0.751 4.404 1.00 0.00 C ATOM 303 CD1 LEU A 97 -5.277 -1.252 5.852 1.00 0.00 C ATOM 304 CD2 LEU A 97 -3.918 -0.059 4.127 1.00 0.00 C ATOM 0 H LEU A 97 -6.405 -3.137 1.157 1.00 0.00 H new ATOM 0 HA LEU A 97 -7.613 -1.982 3.669 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.200 -2.868 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.710 -1.846 2.618 1.00 0.00 H new ATOM 0 HG LEU A 97 -6.073 -0.047 4.256 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.158 -0.408 6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.228 -1.746 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -4.462 -1.959 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.795 0.781 4.810 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.104 -0.768 4.274 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.902 0.304 3.099 1.00 0.00 H new ATOM 316 N SER A 98 -7.744 0.271 2.677 1.00 0.00 N ATOM 317 CA SER A 98 -8.037 1.549 1.974 1.00 0.00 C ATOM 318 C SER A 98 -6.965 2.593 2.311 1.00 0.00 C ATOM 319 O SER A 98 -6.185 2.416 3.227 1.00 0.00 O ATOM 320 CB SER A 98 -9.396 1.979 2.519 1.00 0.00 C ATOM 321 OG SER A 98 -10.304 0.889 2.428 1.00 0.00 O ATOM 0 H SER A 98 -8.068 0.230 3.643 1.00 0.00 H new ATOM 0 HA SER A 98 -8.042 1.442 0.889 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.300 2.302 3.556 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.774 2.831 1.954 1.00 0.00 H new ATOM 0 HG SER A 98 -11.178 1.161 2.779 1.00 0.00 H new ATOM 327 N PHE A 99 -6.928 3.683 1.583 1.00 0.00 N ATOM 328 CA PHE A 99 -5.908 4.745 1.868 1.00 0.00 C ATOM 329 C PHE A 99 -6.272 6.054 1.157 1.00 0.00 C ATOM 330 O PHE A 99 -7.380 6.222 0.680 1.00 0.00 O ATOM 331 CB PHE A 99 -4.564 4.194 1.362 1.00 0.00 C ATOM 332 CG PHE A 99 -4.694 3.650 -0.046 1.00 0.00 C ATOM 333 CD1 PHE A 99 -4.667 4.518 -1.142 1.00 0.00 C ATOM 334 CD2 PHE A 99 -4.823 2.272 -0.251 1.00 0.00 C ATOM 335 CE1 PHE A 99 -4.769 4.008 -2.443 1.00 0.00 C ATOM 336 CE2 PHE A 99 -4.928 1.763 -1.551 1.00 0.00 C ATOM 337 CZ PHE A 99 -4.900 2.632 -2.646 1.00 0.00 C ATOM 0 H PHE A 99 -7.557 3.884 0.806 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.861 4.975 2.932 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -3.813 4.983 1.382 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.216 3.406 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -4.567 5.582 -0.986 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -4.842 1.600 0.594 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -4.746 4.679 -3.289 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -5.031 0.699 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.980 2.239 -3.649 1.00 0.00 H new ATOM 347 N GLN A 100 -5.354 6.992 1.104 1.00 0.00 N ATOM 348 CA GLN A 100 -5.656 8.301 0.446 1.00 0.00 C ATOM 349 C GLN A 100 -4.616 8.642 -0.635 1.00 0.00 C ATOM 350 O GLN A 100 -3.679 7.908 -0.883 1.00 0.00 O ATOM 351 CB GLN A 100 -5.636 9.337 1.577 1.00 0.00 C ATOM 352 CG GLN A 100 -7.068 9.797 1.881 1.00 0.00 C ATOM 353 CD GLN A 100 -7.154 10.299 3.323 1.00 0.00 C ATOM 354 OE1 GLN A 100 -6.866 11.447 3.598 1.00 0.00 O ATOM 355 NE2 GLN A 100 -7.542 9.482 4.264 1.00 0.00 N ATOM 0 H GLN A 100 -4.413 6.906 1.487 1.00 0.00 H new ATOM 0 HA GLN A 100 -6.618 8.277 -0.066 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -5.185 8.906 2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -5.022 10.191 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -7.359 10.590 1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -7.765 8.972 1.731 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.784 8.518 4.035 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -7.603 9.807 5.229 1.00 0.00 H new ATOM 364 N LYS A 101 -4.836 9.734 -1.313 1.00 0.00 N ATOM 365 CA LYS A 101 -3.938 10.162 -2.439 1.00 0.00 C ATOM 366 C LYS A 101 -2.489 10.433 -2.048 1.00 0.00 C ATOM 367 O LYS A 101 -1.618 10.481 -2.896 1.00 0.00 O ATOM 368 CB LYS A 101 -4.565 11.429 -2.967 1.00 0.00 C ATOM 369 CG LYS A 101 -3.953 11.741 -4.323 1.00 0.00 C ATOM 370 CD LYS A 101 -4.958 12.512 -5.167 1.00 0.00 C ATOM 371 CE LYS A 101 -6.104 11.582 -5.589 1.00 0.00 C ATOM 372 NZ LYS A 101 -7.190 12.500 -6.029 1.00 0.00 N ATOM 0 H LYS A 101 -5.616 10.366 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.868 9.352 -3.165 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.645 11.308 -3.057 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -4.393 12.254 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -3.042 12.327 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -3.671 10.817 -4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -5.352 13.355 -4.600 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -4.467 12.923 -6.049 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -5.797 10.916 -6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -6.429 10.952 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -8.013 11.943 -6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -7.464 13.118 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -6.852 13.082 -6.822 1.00 0.00 H new ATOM 386 N GLY A 102 -2.234 10.648 -0.810 1.00 0.00 N ATOM 387 CA GLY A 102 -0.837 10.949 -0.366 1.00 0.00 C ATOM 388 C GLY A 102 -0.529 10.169 0.907 1.00 0.00 C ATOM 389 O GLY A 102 0.078 10.683 1.825 1.00 0.00 O ATOM 0 H GLY A 102 -2.930 10.632 -0.064 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -0.129 10.680 -1.150 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -0.723 12.018 -0.187 1.00 0.00 H new ATOM 393 N ASP A 103 -0.947 8.931 0.967 1.00 0.00 N ATOM 394 CA ASP A 103 -0.674 8.114 2.202 1.00 0.00 C ATOM 395 C ASP A 103 0.646 7.349 2.088 1.00 0.00 C ATOM 396 O ASP A 103 1.210 7.219 1.024 1.00 0.00 O ATOM 397 CB ASP A 103 -1.848 7.144 2.348 1.00 0.00 C ATOM 398 CG ASP A 103 -2.940 7.787 3.209 1.00 0.00 C ATOM 399 OD1 ASP A 103 -3.084 8.997 3.144 1.00 0.00 O ATOM 400 OD2 ASP A 103 -3.613 7.058 3.921 1.00 0.00 O ATOM 0 H ASP A 103 -1.460 8.450 0.228 1.00 0.00 H new ATOM 0 HA ASP A 103 -0.580 8.760 3.075 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -2.247 6.890 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -1.510 6.214 2.805 1.00 0.00 H new ATOM 405 N GLN A 104 1.126 6.827 3.186 1.00 0.00 N ATOM 406 CA GLN A 104 2.390 6.044 3.171 1.00 0.00 C ATOM 407 C GLN A 104 2.122 4.635 3.696 1.00 0.00 C ATOM 408 O GLN A 104 1.507 4.455 4.729 1.00 0.00 O ATOM 409 CB GLN A 104 3.344 6.786 4.106 1.00 0.00 C ATOM 410 CG GLN A 104 4.150 7.813 3.309 1.00 0.00 C ATOM 411 CD GLN A 104 5.574 7.880 3.865 1.00 0.00 C ATOM 412 OE1 GLN A 104 6.061 8.942 4.196 1.00 0.00 O ATOM 413 NE2 GLN A 104 6.262 6.777 3.987 1.00 0.00 N ATOM 0 H GLN A 104 0.688 6.913 4.103 1.00 0.00 H new ATOM 0 HA GLN A 104 2.807 5.951 2.168 1.00 0.00 H new ATOM 0 HB2 GLN A 104 2.781 7.284 4.895 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.016 6.079 4.592 1.00 0.00 H new ATOM 0 HG2 GLN A 104 4.172 7.537 2.255 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.676 8.793 3.372 1.00 0.00 H new ATOM 0 HE21 GLN A 104 5.851 5.886 3.708 1.00 0.00 H new ATOM 0 HE22 GLN A 104 7.211 6.806 4.361 1.00 0.00 H new ATOM 422 N MET A 105 2.577 3.641 2.988 1.00 0.00 N ATOM 423 CA MET A 105 2.356 2.235 3.428 1.00 0.00 C ATOM 424 C MET A 105 3.612 1.418 3.153 1.00 0.00 C ATOM 425 O MET A 105 4.340 1.678 2.212 1.00 0.00 O ATOM 426 CB MET A 105 1.184 1.726 2.581 1.00 0.00 C ATOM 427 CG MET A 105 -0.047 2.610 2.814 1.00 0.00 C ATOM 428 SD MET A 105 -1.516 1.805 2.123 1.00 0.00 S ATOM 429 CE MET A 105 -1.328 2.383 0.418 1.00 0.00 C ATOM 0 H MET A 105 3.097 3.742 2.116 1.00 0.00 H new ATOM 0 HA MET A 105 2.140 2.157 4.494 1.00 0.00 H new ATOM 0 HB2 MET A 105 1.455 1.735 1.525 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.956 0.693 2.843 1.00 0.00 H new ATOM 0 HG2 MET A 105 -0.184 2.785 3.881 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.099 3.584 2.347 1.00 0.00 H new ATOM 0 HE1 MET A 105 -2.309 2.614 0.002 1.00 0.00 H new ATOM 0 HE2 MET A 105 -0.707 3.279 0.404 1.00 0.00 H new ATOM 0 HE3 MET A 105 -0.855 1.604 -0.180 1.00 0.00 H new ATOM 439 N VAL A 106 3.871 0.433 3.966 1.00 0.00 N ATOM 440 CA VAL A 106 5.075 -0.413 3.751 1.00 0.00 C ATOM 441 C VAL A 106 4.650 -1.647 2.968 1.00 0.00 C ATOM 442 O VAL A 106 3.507 -2.041 3.004 1.00 0.00 O ATOM 443 CB VAL A 106 5.564 -0.807 5.146 1.00 0.00 C ATOM 444 CG1 VAL A 106 6.868 -1.590 5.031 1.00 0.00 C ATOM 445 CG2 VAL A 106 5.801 0.450 5.994 1.00 0.00 C ATOM 0 H VAL A 106 3.299 0.178 4.771 1.00 0.00 H new ATOM 0 HA VAL A 106 5.862 0.098 3.196 1.00 0.00 H new ATOM 0 HB VAL A 106 4.805 -1.427 5.624 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.214 -1.869 6.026 1.00 0.00 H new ATOM 0 HG12 VAL A 106 6.701 -2.490 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 106 7.622 -0.971 4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 106 6.149 0.160 6.985 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.553 1.076 5.514 1.00 0.00 H new ATOM 0 HG23 VAL A 106 4.869 1.008 6.085 1.00 0.00 H new ATOM 455 N VAL A 107 5.549 -2.260 2.263 1.00 0.00 N ATOM 456 CA VAL A 107 5.166 -3.469 1.471 1.00 0.00 C ATOM 457 C VAL A 107 5.475 -4.748 2.261 1.00 0.00 C ATOM 458 O VAL A 107 6.474 -4.854 2.944 1.00 0.00 O ATOM 459 CB VAL A 107 5.975 -3.398 0.169 1.00 0.00 C ATOM 460 CG1 VAL A 107 5.655 -4.609 -0.702 1.00 0.00 C ATOM 461 CG2 VAL A 107 5.592 -2.130 -0.593 1.00 0.00 C ATOM 0 H VAL A 107 6.529 -1.985 2.196 1.00 0.00 H new ATOM 0 HA VAL A 107 4.097 -3.492 1.258 1.00 0.00 H new ATOM 0 HB VAL A 107 7.039 -3.387 0.407 1.00 0.00 H new ATOM 0 HG11 VAL A 107 6.231 -4.555 -1.626 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.914 -5.522 -0.165 1.00 0.00 H new ATOM 0 HG13 VAL A 107 4.591 -4.616 -0.938 1.00 0.00 H new ATOM 0 HG21 VAL A 107 6.164 -2.075 -1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 107 4.527 -2.153 -0.825 1.00 0.00 H new ATOM 0 HG23 VAL A 107 5.811 -1.256 0.021 1.00 0.00 H new ATOM 471 N LEU A 108 4.617 -5.718 2.140 1.00 0.00 N ATOM 472 CA LEU A 108 4.804 -7.018 2.840 1.00 0.00 C ATOM 473 C LEU A 108 5.477 -8.011 1.885 1.00 0.00 C ATOM 474 O LEU A 108 6.223 -8.879 2.295 1.00 0.00 O ATOM 475 CB LEU A 108 3.377 -7.507 3.149 1.00 0.00 C ATOM 476 CG LEU A 108 2.800 -6.822 4.396 1.00 0.00 C ATOM 477 CD1 LEU A 108 2.006 -5.592 3.978 1.00 0.00 C ATOM 478 CD2 LEU A 108 1.860 -7.797 5.123 1.00 0.00 C ATOM 0 H LEU A 108 3.772 -5.663 1.571 1.00 0.00 H new ATOM 0 HA LEU A 108 5.419 -6.926 3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.731 -7.309 2.293 1.00 0.00 H new ATOM 0 HB3 LEU A 108 3.387 -8.587 3.298 1.00 0.00 H new ATOM 0 HG LEU A 108 3.615 -6.528 5.057 1.00 0.00 H new ATOM 0 HD11 LEU A 108 1.596 -5.105 4.863 1.00 0.00 H new ATOM 0 HD12 LEU A 108 2.661 -4.897 3.453 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.191 -5.892 3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 108 1.449 -7.313 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.047 -8.084 4.456 1.00 0.00 H new ATOM 0 HD23 LEU A 108 2.417 -8.686 5.420 1.00 0.00 H new ATOM 490 N GLU A 109 5.213 -7.875 0.608 1.00 0.00 N ATOM 491 CA GLU A 109 5.820 -8.797 -0.400 1.00 0.00 C ATOM 492 C GLU A 109 5.864 -8.130 -1.778 1.00 0.00 C ATOM 493 O GLU A 109 5.469 -6.996 -1.941 1.00 0.00 O ATOM 494 CB GLU A 109 4.899 -10.016 -0.436 1.00 0.00 C ATOM 495 CG GLU A 109 5.354 -11.029 0.617 1.00 0.00 C ATOM 496 CD GLU A 109 4.753 -12.399 0.299 1.00 0.00 C ATOM 497 OE1 GLU A 109 5.154 -12.985 -0.692 1.00 0.00 O ATOM 498 OE2 GLU A 109 3.900 -12.838 1.052 1.00 0.00 O ATOM 0 H GLU A 109 4.599 -7.160 0.219 1.00 0.00 H new ATOM 0 HA GLU A 109 6.844 -9.063 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 109 3.870 -9.713 -0.244 1.00 0.00 H new ATOM 0 HB3 GLU A 109 4.918 -10.471 -1.426 1.00 0.00 H new ATOM 0 HG2 GLU A 109 6.442 -11.092 0.631 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.041 -10.704 1.609 1.00 0.00 H new ATOM 505 N GLU A 110 6.325 -8.842 -2.772 1.00 0.00 N ATOM 506 CA GLU A 110 6.390 -8.267 -4.153 1.00 0.00 C ATOM 507 C GLU A 110 5.876 -9.285 -5.178 1.00 0.00 C ATOM 508 O GLU A 110 6.616 -10.131 -5.644 1.00 0.00 O ATOM 509 CB GLU A 110 7.878 -7.979 -4.383 1.00 0.00 C ATOM 510 CG GLU A 110 8.147 -6.485 -4.201 1.00 0.00 C ATOM 511 CD GLU A 110 9.654 -6.232 -4.184 1.00 0.00 C ATOM 512 OE1 GLU A 110 10.352 -6.979 -3.519 1.00 0.00 O ATOM 513 OE2 GLU A 110 10.085 -5.296 -4.837 1.00 0.00 O ATOM 0 H GLU A 110 6.661 -9.801 -2.689 1.00 0.00 H new ATOM 0 HA GLU A 110 5.775 -7.374 -4.261 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.482 -8.555 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 110 8.168 -8.291 -5.386 1.00 0.00 H new ATOM 0 HG2 GLU A 110 7.683 -5.921 -5.010 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.699 -6.136 -3.271 1.00 0.00 H new ATOM 520 N SER A 111 4.616 -9.208 -5.533 1.00 0.00 N ATOM 521 CA SER A 111 4.053 -10.173 -6.527 1.00 0.00 C ATOM 522 C SER A 111 4.103 -9.574 -7.937 1.00 0.00 C ATOM 523 O SER A 111 4.931 -9.952 -8.744 1.00 0.00 O ATOM 524 CB SER A 111 2.607 -10.400 -6.088 1.00 0.00 C ATOM 525 OG SER A 111 1.901 -11.062 -7.128 1.00 0.00 O ATOM 0 H SER A 111 3.954 -8.519 -5.177 1.00 0.00 H new ATOM 0 HA SER A 111 4.617 -11.105 -6.561 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.581 -10.998 -5.177 1.00 0.00 H new ATOM 0 HB3 SER A 111 2.130 -9.447 -5.858 1.00 0.00 H new ATOM 0 HG SER A 111 0.973 -11.211 -6.850 1.00 0.00 H new ATOM 531 N GLY A 112 3.226 -8.646 -8.242 1.00 0.00 N ATOM 532 CA GLY A 112 3.232 -8.034 -9.607 1.00 0.00 C ATOM 533 C GLY A 112 2.177 -6.927 -9.703 1.00 0.00 C ATOM 534 O GLY A 112 2.405 -5.805 -9.296 1.00 0.00 O ATOM 0 H GLY A 112 2.511 -8.289 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.218 -7.624 -9.824 1.00 0.00 H new ATOM 0 HA3 GLY A 112 3.033 -8.800 -10.356 1.00 0.00 H new ATOM 538 N GLU A 113 1.032 -7.231 -10.260 1.00 0.00 N ATOM 539 CA GLU A 113 -0.036 -6.191 -10.409 1.00 0.00 C ATOM 540 C GLU A 113 -0.531 -5.720 -9.040 1.00 0.00 C ATOM 541 O GLU A 113 -0.612 -4.534 -8.778 1.00 0.00 O ATOM 542 CB GLU A 113 -1.168 -6.874 -11.179 1.00 0.00 C ATOM 543 CG GLU A 113 -1.778 -5.886 -12.175 1.00 0.00 C ATOM 544 CD GLU A 113 -3.238 -6.263 -12.437 1.00 0.00 C ATOM 545 OE1 GLU A 113 -3.998 -6.310 -11.485 1.00 0.00 O ATOM 546 OE2 GLU A 113 -3.572 -6.497 -13.588 1.00 0.00 O ATOM 0 H GLU A 113 0.789 -8.154 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 113 0.336 -5.308 -10.929 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -0.787 -7.749 -11.706 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -1.932 -7.226 -10.486 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -1.718 -4.872 -11.781 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -1.215 -5.899 -13.108 1.00 0.00 H new ATOM 553 N TRP A 114 -0.872 -6.636 -8.169 1.00 0.00 N ATOM 554 CA TRP A 114 -1.368 -6.234 -6.820 1.00 0.00 C ATOM 555 C TRP A 114 -0.263 -6.406 -5.776 1.00 0.00 C ATOM 556 O TRP A 114 0.327 -7.462 -5.656 1.00 0.00 O ATOM 557 CB TRP A 114 -2.540 -7.171 -6.522 1.00 0.00 C ATOM 558 CG TRP A 114 -3.804 -6.563 -7.044 1.00 0.00 C ATOM 559 CD1 TRP A 114 -4.460 -6.973 -8.153 1.00 0.00 C ATOM 560 CD2 TRP A 114 -4.572 -5.445 -6.504 1.00 0.00 C ATOM 561 NE1 TRP A 114 -5.580 -6.181 -8.329 1.00 0.00 N ATOM 562 CE2 TRP A 114 -5.693 -5.223 -7.339 1.00 0.00 C ATOM 563 CE3 TRP A 114 -4.405 -4.608 -5.384 1.00 0.00 C ATOM 564 CZ2 TRP A 114 -6.617 -4.212 -7.072 1.00 0.00 C ATOM 565 CZ3 TRP A 114 -5.335 -3.589 -5.113 1.00 0.00 C ATOM 566 CH2 TRP A 114 -6.436 -3.391 -5.957 1.00 0.00 C ATOM 0 H TRP A 114 -0.828 -7.642 -8.334 1.00 0.00 H new ATOM 0 HA TRP A 114 -1.672 -5.188 -6.792 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -2.371 -8.142 -6.987 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -2.621 -7.341 -5.448 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.159 -7.786 -8.796 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -6.243 -6.291 -9.097 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -3.558 -4.750 -4.729 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -7.466 -4.066 -7.723 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -5.200 -2.955 -4.249 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -7.144 -2.604 -5.745 1.00 0.00 H new ATOM 577 N TRP A 115 0.019 -5.373 -5.023 1.00 0.00 N ATOM 578 CA TRP A 115 1.083 -5.466 -3.979 1.00 0.00 C ATOM 579 C TRP A 115 0.438 -5.469 -2.593 1.00 0.00 C ATOM 580 O TRP A 115 -0.510 -4.750 -2.344 1.00 0.00 O ATOM 581 CB TRP A 115 1.939 -4.202 -4.155 1.00 0.00 C ATOM 582 CG TRP A 115 2.775 -4.265 -5.408 1.00 0.00 C ATOM 583 CD1 TRP A 115 2.921 -5.341 -6.228 1.00 0.00 C ATOM 584 CD2 TRP A 115 3.593 -3.207 -5.983 1.00 0.00 C ATOM 585 NE1 TRP A 115 3.777 -5.002 -7.261 1.00 0.00 N ATOM 586 CE2 TRP A 115 4.215 -3.698 -7.156 1.00 0.00 C ATOM 587 CE3 TRP A 115 3.851 -1.876 -5.603 1.00 0.00 C ATOM 588 CZ2 TRP A 115 5.065 -2.899 -7.923 1.00 0.00 C ATOM 589 CZ3 TRP A 115 4.705 -1.070 -6.372 1.00 0.00 C ATOM 590 CH2 TRP A 115 5.311 -1.579 -7.530 1.00 0.00 C ATOM 0 H TRP A 115 -0.444 -4.466 -5.087 1.00 0.00 H new ATOM 0 HA TRP A 115 1.677 -6.375 -4.075 1.00 0.00 H new ATOM 0 HB2 TRP A 115 1.291 -3.326 -4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 115 2.590 -4.080 -3.289 1.00 0.00 H new ATOM 0 HD1 TRP A 115 2.447 -6.302 -6.094 1.00 0.00 H new ATOM 0 HE1 TRP A 115 4.051 -5.639 -8.009 1.00 0.00 H new ATOM 0 HE3 TRP A 115 3.389 -1.473 -4.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 5.529 -3.297 -8.813 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 4.897 -0.051 -6.070 1.00 0.00 H new ATOM 0 HH2 TRP A 115 5.966 -0.953 -8.117 1.00 0.00 H new ATOM 601 N LYS A 116 0.953 -6.257 -1.684 1.00 0.00 N ATOM 602 CA LYS A 116 0.372 -6.294 -0.302 1.00 0.00 C ATOM 603 C LYS A 116 1.155 -5.336 0.592 1.00 0.00 C ATOM 604 O LYS A 116 2.348 -5.476 0.727 1.00 0.00 O ATOM 605 CB LYS A 116 0.567 -7.737 0.173 1.00 0.00 C ATOM 606 CG LYS A 116 -0.753 -8.501 0.052 1.00 0.00 C ATOM 607 CD LYS A 116 -0.482 -10.014 0.064 1.00 0.00 C ATOM 608 CE LYS A 116 -1.254 -10.673 1.211 1.00 0.00 C ATOM 609 NZ LYS A 116 -0.353 -11.749 1.711 1.00 0.00 N ATOM 0 H LYS A 116 1.749 -6.876 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 116 -0.677 -5.998 -0.276 1.00 0.00 H new ATOM 0 HB2 LYS A 116 1.337 -8.226 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.911 -7.747 1.207 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -1.415 -8.234 0.876 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -1.263 -8.221 -0.870 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -0.782 -10.453 -0.887 1.00 0.00 H new ATOM 0 HD3 LYS A 116 0.586 -10.200 0.179 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -1.484 -9.954 1.997 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -2.203 -11.082 0.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -0.812 -12.248 2.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -0.157 -12.422 0.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.540 -11.329 2.040 1.00 0.00 H new ATOM 623 N ALA A 117 0.508 -4.361 1.197 1.00 0.00 N ATOM 624 CA ALA A 117 1.273 -3.399 2.063 1.00 0.00 C ATOM 625 C ALA A 117 0.541 -3.058 3.375 1.00 0.00 C ATOM 626 O ALA A 117 -0.649 -3.266 3.522 1.00 0.00 O ATOM 627 CB ALA A 117 1.431 -2.145 1.205 1.00 0.00 C ATOM 0 H ALA A 117 -0.496 -4.192 1.131 1.00 0.00 H new ATOM 0 HA ALA A 117 2.224 -3.834 2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 117 1.981 -1.388 1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 117 1.978 -2.393 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 117 0.447 -1.758 0.942 1.00 0.00 H new ATOM 633 N ARG A 118 1.268 -2.516 4.328 1.00 0.00 N ATOM 634 CA ARG A 118 0.671 -2.142 5.632 1.00 0.00 C ATOM 635 C ARG A 118 0.716 -0.617 5.818 1.00 0.00 C ATOM 636 O ARG A 118 1.763 -0.003 5.735 1.00 0.00 O ATOM 637 CB ARG A 118 1.559 -2.860 6.662 1.00 0.00 C ATOM 638 CG ARG A 118 1.225 -2.414 8.098 1.00 0.00 C ATOM 639 CD ARG A 118 2.517 -2.051 8.844 1.00 0.00 C ATOM 640 NE ARG A 118 2.152 -2.032 10.297 1.00 0.00 N ATOM 641 CZ ARG A 118 3.077 -1.925 11.234 1.00 0.00 C ATOM 642 NH1 ARG A 118 4.348 -1.780 10.932 1.00 0.00 N ATOM 643 NH2 ARG A 118 2.723 -1.948 12.490 1.00 0.00 N ATOM 0 H ARG A 118 2.265 -2.318 4.245 1.00 0.00 H new ATOM 0 HA ARG A 118 -0.377 -2.426 5.724 1.00 0.00 H new ATOM 0 HB2 ARG A 118 1.424 -3.938 6.573 1.00 0.00 H new ATOM 0 HB3 ARG A 118 2.608 -2.652 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 118 0.554 -1.555 8.075 1.00 0.00 H new ATOM 0 HG3 ARG A 118 0.703 -3.213 8.624 1.00 0.00 H new ATOM 0 HD2 ARG A 118 3.302 -2.781 8.647 1.00 0.00 H new ATOM 0 HD3 ARG A 118 2.896 -1.081 8.522 1.00 0.00 H new ATOM 0 HE ARG A 118 1.171 -2.103 10.568 1.00 0.00 H new ATOM 0 HH11 ARG A 118 4.640 -1.748 9.955 1.00 0.00 H new ATOM 0 HH12 ARG A 118 5.043 -1.700 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 118 1.739 -2.048 12.741 1.00 0.00 H new ATOM 0 HH22 ARG A 118 3.430 -1.866 13.221 1.00 0.00 H new ATOM 657 N SER A 119 -0.414 -0.013 6.091 1.00 0.00 N ATOM 658 CA SER A 119 -0.450 1.460 6.308 1.00 0.00 C ATOM 659 C SER A 119 0.056 1.779 7.712 1.00 0.00 C ATOM 660 O SER A 119 -0.490 1.310 8.701 1.00 0.00 O ATOM 661 CB SER A 119 -1.916 1.863 6.168 1.00 0.00 C ATOM 662 OG SER A 119 -2.011 3.280 6.132 1.00 0.00 O ATOM 0 H SER A 119 -1.316 -0.482 6.173 1.00 0.00 H new ATOM 0 HA SER A 119 0.179 1.997 5.598 1.00 0.00 H new ATOM 0 HB2 SER A 119 -2.338 1.435 5.258 1.00 0.00 H new ATOM 0 HB3 SER A 119 -2.495 1.469 7.003 1.00 0.00 H new ATOM 0 HG SER A 119 -2.951 3.543 6.040 1.00 0.00 H new ATOM 668 N LEU A 120 1.094 2.570 7.798 1.00 0.00 N ATOM 669 CA LEU A 120 1.657 2.932 9.134 1.00 0.00 C ATOM 670 C LEU A 120 0.704 3.866 9.882 1.00 0.00 C ATOM 671 O LEU A 120 0.690 3.904 11.097 1.00 0.00 O ATOM 672 CB LEU A 120 2.980 3.640 8.829 1.00 0.00 C ATOM 673 CG LEU A 120 3.956 2.648 8.186 1.00 0.00 C ATOM 674 CD1 LEU A 120 4.806 3.366 7.129 1.00 0.00 C ATOM 675 CD2 LEU A 120 4.871 2.060 9.266 1.00 0.00 C ATOM 0 H LEU A 120 1.577 2.982 7.000 1.00 0.00 H new ATOM 0 HA LEU A 120 1.800 2.058 9.770 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.808 4.482 8.159 1.00 0.00 H new ATOM 0 HB3 LEU A 120 3.408 4.044 9.746 1.00 0.00 H new ATOM 0 HG LEU A 120 3.392 1.846 7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.498 2.656 6.675 1.00 0.00 H new ATOM 0 HD12 LEU A 120 4.155 3.781 6.359 1.00 0.00 H new ATOM 0 HD13 LEU A 120 5.369 4.171 7.601 1.00 0.00 H new ATOM 0 HD21 LEU A 120 5.565 1.354 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 120 5.432 2.863 9.745 1.00 0.00 H new ATOM 0 HD23 LEU A 120 4.268 1.544 10.013 1.00 0.00 H new ATOM 687 N ALA A 121 -0.091 4.620 9.163 1.00 0.00 N ATOM 688 CA ALA A 121 -1.051 5.557 9.829 1.00 0.00 C ATOM 689 C ALA A 121 -1.991 4.790 10.766 1.00 0.00 C ATOM 690 O ALA A 121 -2.488 5.333 11.738 1.00 0.00 O ATOM 691 CB ALA A 121 -1.848 6.197 8.691 1.00 0.00 C ATOM 0 H ALA A 121 -0.117 4.628 8.143 1.00 0.00 H new ATOM 0 HA ALA A 121 -0.533 6.300 10.435 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -2.574 6.898 9.104 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -1.168 6.729 8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -2.371 5.421 8.132 1.00 0.00 H new ATOM 697 N THR A 122 -2.236 3.533 10.483 1.00 0.00 N ATOM 698 CA THR A 122 -3.142 2.725 11.359 1.00 0.00 C ATOM 699 C THR A 122 -2.579 1.311 11.583 1.00 0.00 C ATOM 700 O THR A 122 -3.270 0.436 12.072 1.00 0.00 O ATOM 701 CB THR A 122 -4.465 2.649 10.594 1.00 0.00 C ATOM 702 OG1 THR A 122 -4.218 2.179 9.278 1.00 0.00 O ATOM 703 CG2 THR A 122 -5.111 4.035 10.528 1.00 0.00 C ATOM 0 H THR A 122 -1.848 3.032 9.684 1.00 0.00 H new ATOM 0 HA THR A 122 -3.254 3.175 12.345 1.00 0.00 H new ATOM 0 HB THR A 122 -5.140 1.966 11.109 1.00 0.00 H new ATOM 0 HG1 THR A 122 -5.063 2.127 8.785 1.00 0.00 H new ATOM 0 HG21 THR A 122 -6.052 3.972 9.982 1.00 0.00 H new ATOM 0 HG22 THR A 122 -5.301 4.396 11.539 1.00 0.00 H new ATOM 0 HG23 THR A 122 -4.440 4.725 10.016 1.00 0.00 H new ATOM 711 N ARG A 123 -1.331 1.073 11.229 1.00 0.00 N ATOM 712 CA ARG A 123 -0.724 -0.292 11.415 1.00 0.00 C ATOM 713 C ARG A 123 -1.613 -1.372 10.786 1.00 0.00 C ATOM 714 O ARG A 123 -1.627 -2.503 11.233 1.00 0.00 O ATOM 715 CB ARG A 123 -0.641 -0.503 12.932 1.00 0.00 C ATOM 716 CG ARG A 123 0.303 0.532 13.549 1.00 0.00 C ATOM 717 CD ARG A 123 0.906 -0.025 14.848 1.00 0.00 C ATOM 718 NE ARG A 123 0.624 1.005 15.913 1.00 0.00 N ATOM 719 CZ ARG A 123 1.009 2.264 15.809 1.00 0.00 C ATOM 720 NH1 ARG A 123 1.804 2.657 14.844 1.00 0.00 N ATOM 721 NH2 ARG A 123 0.633 3.123 16.716 1.00 0.00 N ATOM 0 H ARG A 123 -0.706 1.767 10.819 1.00 0.00 H new ATOM 0 HA ARG A 123 0.253 -0.360 10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 123 -1.633 -0.414 13.375 1.00 0.00 H new ATOM 0 HB3 ARG A 123 -0.284 -1.510 13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 123 1.097 0.779 12.845 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.239 1.455 13.755 1.00 0.00 H new ATOM 0 HD2 ARG A 123 0.458 -0.985 15.106 1.00 0.00 H new ATOM 0 HD3 ARG A 123 1.978 -0.192 14.740 1.00 0.00 H new ATOM 0 HE ARG A 123 0.115 0.717 16.749 1.00 0.00 H new ATOM 0 HH11 ARG A 123 2.138 1.985 14.153 1.00 0.00 H new ATOM 0 HH12 ARG A 123 2.088 3.635 14.784 1.00 0.00 H new ATOM 0 HH21 ARG A 123 0.048 2.819 17.495 1.00 0.00 H new ATOM 0 HH22 ARG A 123 0.924 4.098 16.647 1.00 0.00 H new ATOM 735 N LYS A 124 -2.333 -1.039 9.742 1.00 0.00 N ATOM 736 CA LYS A 124 -3.199 -2.062 9.077 1.00 0.00 C ATOM 737 C LYS A 124 -2.520 -2.526 7.795 1.00 0.00 C ATOM 738 O LYS A 124 -1.488 -2.013 7.439 1.00 0.00 O ATOM 739 CB LYS A 124 -4.514 -1.353 8.759 1.00 0.00 C ATOM 740 CG LYS A 124 -5.155 -0.839 10.051 1.00 0.00 C ATOM 741 CD LYS A 124 -6.680 -0.853 9.902 1.00 0.00 C ATOM 742 CE LYS A 124 -7.334 -1.139 11.260 1.00 0.00 C ATOM 743 NZ LYS A 124 -7.913 0.163 11.694 1.00 0.00 N ATOM 0 H LYS A 124 -2.359 -0.109 9.324 1.00 0.00 H new ATOM 0 HA LYS A 124 -3.369 -2.937 9.705 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -4.334 -0.522 8.077 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -5.194 -2.039 8.253 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -4.855 -1.463 10.892 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -4.809 0.172 10.265 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -7.025 0.106 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -6.977 -1.612 9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -8.106 -1.904 11.173 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -6.603 -1.505 11.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -8.378 0.046 12.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -7.155 0.870 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -8.611 0.483 10.993 1.00 0.00 H new ATOM 757 N GLU A 125 -3.083 -3.478 7.099 1.00 0.00 N ATOM 758 CA GLU A 125 -2.441 -3.953 5.832 1.00 0.00 C ATOM 759 C GLU A 125 -3.462 -4.584 4.896 1.00 0.00 C ATOM 760 O GLU A 125 -4.445 -5.153 5.329 1.00 0.00 O ATOM 761 CB GLU A 125 -1.380 -4.973 6.257 1.00 0.00 C ATOM 762 CG GLU A 125 -2.011 -6.069 7.118 1.00 0.00 C ATOM 763 CD GLU A 125 -1.995 -5.643 8.586 1.00 0.00 C ATOM 764 OE1 GLU A 125 -0.933 -5.282 9.066 1.00 0.00 O ATOM 765 OE2 GLU A 125 -3.045 -5.684 9.205 1.00 0.00 O ATOM 0 H GLU A 125 -3.954 -3.946 7.348 1.00 0.00 H new ATOM 0 HA GLU A 125 -1.999 -3.124 5.280 1.00 0.00 H new ATOM 0 HB2 GLU A 125 -0.917 -5.415 5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 125 -0.588 -4.473 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 125 -3.035 -6.255 6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 125 -1.463 -7.003 6.994 1.00 0.00 H new ATOM 772 N GLY A 126 -3.223 -4.489 3.611 1.00 0.00 N ATOM 773 CA GLY A 126 -4.169 -5.084 2.631 1.00 0.00 C ATOM 774 C GLY A 126 -3.539 -5.148 1.236 1.00 0.00 C ATOM 775 O GLY A 126 -2.375 -5.466 1.082 1.00 0.00 O ATOM 0 H GLY A 126 -2.412 -4.024 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 126 -4.451 -6.086 2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 126 -5.083 -4.491 2.595 1.00 0.00 H new ATOM 779 N TYR A 127 -4.318 -4.859 0.227 1.00 0.00 N ATOM 780 CA TYR A 127 -3.826 -4.916 -1.176 1.00 0.00 C ATOM 781 C TYR A 127 -3.791 -3.518 -1.795 1.00 0.00 C ATOM 782 O TYR A 127 -4.544 -2.646 -1.407 1.00 0.00 O ATOM 783 CB TYR A 127 -4.871 -5.767 -1.897 1.00 0.00 C ATOM 784 CG TYR A 127 -4.733 -7.218 -1.505 1.00 0.00 C ATOM 785 CD1 TYR A 127 -3.752 -8.018 -2.102 1.00 0.00 C ATOM 786 CD2 TYR A 127 -5.598 -7.766 -0.553 1.00 0.00 C ATOM 787 CE1 TYR A 127 -3.637 -9.367 -1.744 1.00 0.00 C ATOM 788 CE2 TYR A 127 -5.484 -9.111 -0.192 1.00 0.00 C ATOM 789 CZ TYR A 127 -4.501 -9.914 -0.789 1.00 0.00 C ATOM 790 OH TYR A 127 -4.387 -11.246 -0.438 1.00 0.00 O ATOM 0 H TYR A 127 -5.295 -4.580 0.321 1.00 0.00 H new ATOM 0 HA TYR A 127 -2.816 -5.319 -1.244 1.00 0.00 H new ATOM 0 HB2 TYR A 127 -5.871 -5.411 -1.650 1.00 0.00 H new ATOM 0 HB3 TYR A 127 -4.752 -5.663 -2.975 1.00 0.00 H new ATOM 0 HD1 TYR A 127 -3.084 -7.595 -2.838 1.00 0.00 H new ATOM 0 HD2 TYR A 127 -6.356 -7.148 -0.095 1.00 0.00 H new ATOM 0 HE1 TYR A 127 -2.881 -9.985 -2.205 1.00 0.00 H new ATOM 0 HE2 TYR A 127 -6.152 -9.532 0.545 1.00 0.00 H new ATOM 0 HH TYR A 127 -5.062 -11.465 0.238 1.00 0.00 H new ATOM 800 N ILE A 128 -2.941 -3.313 -2.771 1.00 0.00 N ATOM 801 CA ILE A 128 -2.868 -1.979 -3.441 1.00 0.00 C ATOM 802 C ILE A 128 -2.351 -2.137 -4.884 1.00 0.00 C ATOM 803 O ILE A 128 -1.399 -2.858 -5.115 1.00 0.00 O ATOM 804 CB ILE A 128 -1.903 -1.120 -2.611 1.00 0.00 C ATOM 805 CG1 ILE A 128 -0.579 -1.861 -2.378 1.00 0.00 C ATOM 806 CG2 ILE A 128 -2.547 -0.793 -1.265 1.00 0.00 C ATOM 807 CD1 ILE A 128 0.476 -0.871 -1.883 1.00 0.00 C ATOM 0 H ILE A 128 -2.294 -4.014 -3.133 1.00 0.00 H new ATOM 0 HA ILE A 128 -3.851 -1.511 -3.497 1.00 0.00 H new ATOM 0 HB ILE A 128 -1.695 -0.200 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 128 -0.719 -2.657 -1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 128 -0.246 -2.333 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 128 -1.864 -0.183 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 128 -3.474 -0.244 -1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 128 -2.763 -1.718 -0.731 1.00 0.00 H new ATOM 0 HD11 ILE A 128 1.417 -1.395 -1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 128 0.622 -0.091 -2.630 1.00 0.00 H new ATOM 0 HD13 ILE A 128 0.142 -0.420 -0.949 1.00 0.00 H new ATOM 819 N PRO A 129 -2.994 -1.467 -5.825 1.00 0.00 N ATOM 820 CA PRO A 129 -2.557 -1.564 -7.241 1.00 0.00 C ATOM 821 C PRO A 129 -1.203 -0.874 -7.417 1.00 0.00 C ATOM 822 O PRO A 129 -1.043 0.281 -7.083 1.00 0.00 O ATOM 823 CB PRO A 129 -3.647 -0.833 -8.035 1.00 0.00 C ATOM 824 CG PRO A 129 -4.743 -0.525 -7.063 1.00 0.00 C ATOM 825 CD PRO A 129 -4.156 -0.580 -5.680 1.00 0.00 C ATOM 0 HA PRO A 129 -2.433 -2.594 -7.574 1.00 0.00 H new ATOM 0 HB2 PRO A 129 -3.255 0.081 -8.481 1.00 0.00 H new ATOM 0 HB3 PRO A 129 -4.015 -1.454 -8.852 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -5.164 0.461 -7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -5.556 -1.244 -7.162 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -3.862 0.410 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -4.871 -0.973 -4.958 1.00 0.00 H new ATOM 833 N SER A 130 -0.228 -1.578 -7.937 1.00 0.00 N ATOM 834 CA SER A 130 1.132 -0.972 -8.140 1.00 0.00 C ATOM 835 C SER A 130 1.039 0.355 -8.910 1.00 0.00 C ATOM 836 O SER A 130 1.809 1.268 -8.678 1.00 0.00 O ATOM 837 CB SER A 130 1.903 -1.999 -8.972 1.00 0.00 C ATOM 838 OG SER A 130 1.630 -3.306 -8.483 1.00 0.00 O ATOM 0 H SER A 130 -0.312 -2.551 -8.232 1.00 0.00 H new ATOM 0 HA SER A 130 1.615 -0.751 -7.188 1.00 0.00 H new ATOM 0 HB2 SER A 130 1.615 -1.924 -10.020 1.00 0.00 H new ATOM 0 HB3 SER A 130 2.973 -1.796 -8.920 1.00 0.00 H new ATOM 0 HG SER A 130 2.211 -3.497 -7.717 1.00 0.00 H new ATOM 844 N ASN A 131 0.122 0.453 -9.840 1.00 0.00 N ATOM 845 CA ASN A 131 -0.006 1.713 -10.643 1.00 0.00 C ATOM 846 C ASN A 131 -0.671 2.841 -9.831 1.00 0.00 C ATOM 847 O ASN A 131 -0.731 3.971 -10.276 1.00 0.00 O ATOM 848 CB ASN A 131 -0.866 1.335 -11.854 1.00 0.00 C ATOM 849 CG ASN A 131 -2.230 0.812 -11.393 1.00 0.00 C ATOM 850 OD1 ASN A 131 -2.310 -0.104 -10.598 1.00 0.00 O ATOM 851 ND2 ASN A 131 -3.316 1.355 -11.873 1.00 0.00 N ATOM 0 H ASN A 131 -0.543 -0.282 -10.079 1.00 0.00 H new ATOM 0 HA ASN A 131 0.972 2.095 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 131 -1.001 2.204 -12.499 1.00 0.00 H new ATOM 0 HB3 ASN A 131 -0.358 0.574 -12.446 1.00 0.00 H new ATOM 0 HD21 ASN A 131 -4.231 1.011 -11.581 1.00 0.00 H new ATOM 0 HD22 ASN A 131 -3.250 2.124 -12.540 1.00 0.00 H new ATOM 858 N TYR A 132 -1.156 2.551 -8.646 1.00 0.00 N ATOM 859 CA TYR A 132 -1.802 3.610 -7.805 1.00 0.00 C ATOM 860 C TYR A 132 -0.861 4.026 -6.673 1.00 0.00 C ATOM 861 O TYR A 132 -1.303 4.484 -5.633 1.00 0.00 O ATOM 862 CB TYR A 132 -3.031 2.928 -7.197 1.00 0.00 C ATOM 863 CG TYR A 132 -4.229 3.060 -8.110 1.00 0.00 C ATOM 864 CD1 TYR A 132 -4.103 2.853 -9.492 1.00 0.00 C ATOM 865 CD2 TYR A 132 -5.479 3.382 -7.565 1.00 0.00 C ATOM 866 CE1 TYR A 132 -5.223 2.972 -10.323 1.00 0.00 C ATOM 867 CE2 TYR A 132 -6.597 3.499 -8.398 1.00 0.00 C ATOM 868 CZ TYR A 132 -6.469 3.294 -9.775 1.00 0.00 C ATOM 869 OH TYR A 132 -7.572 3.411 -10.595 1.00 0.00 O ATOM 0 H TYR A 132 -1.132 1.623 -8.224 1.00 0.00 H new ATOM 0 HA TYR A 132 -2.048 4.499 -8.386 1.00 0.00 H new ATOM 0 HB2 TYR A 132 -2.817 1.874 -7.021 1.00 0.00 H new ATOM 0 HB3 TYR A 132 -3.257 3.373 -6.228 1.00 0.00 H new ATOM 0 HD1 TYR A 132 -3.141 2.602 -9.915 1.00 0.00 H new ATOM 0 HD2 TYR A 132 -5.580 3.540 -6.501 1.00 0.00 H new ATOM 0 HE1 TYR A 132 -5.125 2.815 -11.387 1.00 0.00 H new ATOM 0 HE2 TYR A 132 -7.560 3.748 -7.977 1.00 0.00 H new ATOM 0 HH TYR A 132 -8.358 3.638 -10.056 1.00 0.00 H new ATOM 879 N VAL A 133 0.422 3.835 -6.844 1.00 0.00 N ATOM 880 CA VAL A 133 1.368 4.174 -5.744 1.00 0.00 C ATOM 881 C VAL A 133 2.801 4.326 -6.262 1.00 0.00 C ATOM 882 O VAL A 133 3.116 3.988 -7.387 1.00 0.00 O ATOM 883 CB VAL A 133 1.237 2.977 -4.781 1.00 0.00 C ATOM 884 CG1 VAL A 133 1.494 1.655 -5.523 1.00 0.00 C ATOM 885 CG2 VAL A 133 2.226 3.091 -3.629 1.00 0.00 C ATOM 0 H VAL A 133 0.851 3.462 -7.691 1.00 0.00 H new ATOM 0 HA VAL A 133 1.140 5.128 -5.268 1.00 0.00 H new ATOM 0 HB VAL A 133 0.221 2.987 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 133 1.397 0.822 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 133 0.767 1.542 -6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 133 2.500 1.662 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 133 2.112 2.234 -2.965 1.00 0.00 H new ATOM 0 HG22 VAL A 133 3.242 3.112 -4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 133 2.033 4.009 -3.073 1.00 0.00 H new ATOM 895 N ALA A 134 3.665 4.827 -5.422 1.00 0.00 N ATOM 896 CA ALA A 134 5.099 5.012 -5.816 1.00 0.00 C ATOM 897 C ALA A 134 6.001 4.166 -4.903 1.00 0.00 C ATOM 898 O ALA A 134 5.816 4.124 -3.701 1.00 0.00 O ATOM 899 CB ALA A 134 5.380 6.507 -5.630 1.00 0.00 C ATOM 0 H ALA A 134 3.441 5.120 -4.471 1.00 0.00 H new ATOM 0 HA ALA A 134 5.295 4.696 -6.841 1.00 0.00 H new ATOM 0 HB1 ALA A 134 6.415 6.719 -5.900 1.00 0.00 H new ATOM 0 HB2 ALA A 134 4.712 7.085 -6.269 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.213 6.782 -4.588 1.00 0.00 H new ATOM 905 N ARG A 135 6.963 3.474 -5.470 1.00 0.00 N ATOM 906 CA ARG A 135 7.852 2.607 -4.656 1.00 0.00 C ATOM 907 C ARG A 135 9.122 3.332 -4.186 1.00 0.00 C ATOM 908 O ARG A 135 9.911 3.808 -4.979 1.00 0.00 O ATOM 909 CB ARG A 135 8.223 1.473 -5.600 1.00 0.00 C ATOM 910 CG ARG A 135 8.966 0.397 -4.822 1.00 0.00 C ATOM 911 CD ARG A 135 8.003 -0.741 -4.463 1.00 0.00 C ATOM 912 NE ARG A 135 8.164 -1.742 -5.569 1.00 0.00 N ATOM 913 CZ ARG A 135 7.573 -2.920 -5.520 1.00 0.00 C ATOM 914 NH1 ARG A 135 6.805 -3.264 -4.511 1.00 0.00 N ATOM 915 NH2 ARG A 135 7.753 -3.761 -6.501 1.00 0.00 N ATOM 0 H ARG A 135 7.165 3.478 -6.470 1.00 0.00 H new ATOM 0 HA ARG A 135 7.353 2.279 -3.744 1.00 0.00 H new ATOM 0 HB2 ARG A 135 7.325 1.055 -6.056 1.00 0.00 H new ATOM 0 HB3 ARG A 135 8.847 1.848 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 135 9.794 0.011 -5.417 1.00 0.00 H new ATOM 0 HG3 ARG A 135 9.396 0.822 -3.915 1.00 0.00 H new ATOM 0 HD2 ARG A 135 8.250 -1.178 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.975 -0.384 -4.399 1.00 0.00 H new ATOM 0 HE ARG A 135 8.742 -1.507 -6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 135 6.654 -2.613 -3.740 1.00 0.00 H new ATOM 0 HH12 ARG A 135 6.360 -4.182 -4.499 1.00 0.00 H new ATOM 0 HH21 ARG A 135 8.344 -3.504 -7.291 1.00 0.00 H new ATOM 0 HH22 ARG A 135 7.303 -4.676 -6.478 1.00 0.00 H new